SCHEMBL21708261

SCHEMBL21708261

CCN(CC)CCCN(c1ccc(OC)cc1[N+](=O)[O-])S(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
LMNA P02545 5/20 0.43
MAPT P10636 5/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
KEAP1 Q14145 2/20 0.40
NFE2L2 Q16236 2/20 0.40
SLC40A1 Q9NP59 1/20 0.39
APP P05067 1/20 0.39
RELA Q04206 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
STAT3 P40763 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21708278 0.88 NPSR1 (0.48) POLBMCOLN3LMNAMAPTALDH1A1
SCHEMBL21708241 0.87 LMNA (0.46) POLBMCOLN3LMNAMAPTALDH1A1
SCHEMBL21708217 0.86 POLB (0.47) POLBMCOLN3LMNAMAPTALDH1A1
SCHEMBL21708237 0.85 POLB (0.52) POLBMCOLN3LMNAMAPTALDH1A1
SCHEMBL21708288 0.84 POLB (0.51) POLBMCOLN3LMNAMAPTALDH1A1
SCHEMBL21708314 0.83 POLB (0.55) POLBMCOLN3LMNAMAPTALDH1A1
SCHEMBL21708215 0.81 POLB (0.53) POLBMCOLN3LMNAMAPTALDH1A1
SCHEMBL21708291 0.81 POLB (0.48) POLBMCOLN3LMNAMAPTALDH1A1
SCHEMBL21708308 0.80 POLB (0.51) POLBMCOLN3LMNAMAPTALDH1A1
SCHEMBL21834596 0.75 POLB (0.56) POLBMCOLN3MAPTKMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210107871-A1 BIARYL SULFONAMIDE DERIVATIVE HAVING FILOVIRUS CELL ENTRY INHIBITION ACTIVITY NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2021-04-15 US claimed
EP-3611161-A1 BIARYL SULFONAMIDE DERIVATIVE HAVING FILOVIRUS CELL ENTRY INHIBITION ACTIVITY National University Corporation Hokkaido University (JP) 2020-02-19 EP claimed
US-20210107871-A1 BIARYL SULFONAMIDE DERIVATIVE HAVING FILOVIRUS CELL ENTRY INHIBITION ACTIVITY NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2021-04-15 US disclosed
EP-3611161-A1 BIARYL SULFONAMIDE DERIVATIVE HAVING FILOVIRUS CELL ENTRY INHIBITION ACTIVITY National University Corporation Hokkaido University (JP) 2020-02-19 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210107871-A1 BIARYL SULFONAMIDE DERIVATIVE HAVING FILOVIRUS CELL ENTRY INHIBITION ACTIVITY FLNA, FLNB, BRI3BP POLB 4273/4885MCOLN3 1672/4885LMNA 970/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.